ZLWZEFPIJWNPCO-WCYZHHTASA-N

Chemistry, 2 End Use API, 6 Related Intermediates

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Also known as: 142217-78-5, 1263274-06-1, (2r,3s,5s)-3-(benzyloxy)-5-[2-[[(4-methoxyphenyl)diphenylmethyl]amino]-6-(phenylmethoxy)-9h-purin-9-yl]-2-(benzyloxymethyl)cyclopentanol, (2r,3s,5s)-5-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-6-phenylmethoxypurin-9-yl]-3-phenylmethoxy-2-(phenylmethoxymethyl)cyclopentan-1-ol, (2r,3s,5s)-3-(benzyloxy)-5-(6-(benzyloxy)-2-(((4-methoxyphenyl)diphenylmethyl)amino)-9h-purin-9-yl)-, Amy30767

Molecular Formula

C₅₂H₄₉N₅O₅

Molecular Weight

824.0 g/mol

InChI Key

ZLWZEFPIJWNPCO-WCYZHHTASA-N

1 2D Structure

ZLWZEFPIJWNPCO-WCYZHHTASA-N

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2R,3S,5S)-5-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-6-phenylmethoxypurin-9-yl]-3-phenylmethoxy-2-(phenylmethoxymethyl)cyclopentan-1-ol

2.1.2 InChI

InChI=1S/C52H49N5O5/c1-59-43-29-27-42(28-30-43)52(40-23-13-5-14-24-40,41-25-15-6-16-26-41)56-51-54-49-47(50(55-51)62-34-39-21-11-4-12-22-39)53-36-57(49)45-31-46(61-33-38-19-9-3-10-20-38)44(48(45)58)35-60-32-37-17-7-2-8-18-37/h2-30,36,44-46,48,58H,31-35H2,1H3,(H,54,55,56)/t44-,45-,46-,48?/m0/s1

2.1.3 InChI Key

ZLWZEFPIJWNPCO-WCYZHHTASA-N

2.1.4 Canonical SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4=NC5=C(C(=N4)OCC6=CC=CC=C6)N=CN5C7CC(C(C7O)COCC8=CC=CC=C8)OCC9=CC=CC=C9

2.1.5 Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4=NC5=C(C(=N4)OCC6=CC=CC=C6)N=CN5[C@H]7C[C@@H]([C@@H](C7O)COCC8=CC=CC=C8)OCC9=CC=CC=C9

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 142217-78-5

2. 1263274-06-1

3. (2r,3s,5s)-3-(benzyloxy)-5-[2-[[(4-methoxyphenyl)diphenylmethyl]amino]-6-(phenylmethoxy)-9h-purin-9-yl]-2-(benzyloxymethyl)cyclopentanol

4. (2r,3s,5s)-5-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-6-phenylmethoxypurin-9-yl]-3-phenylmethoxy-2-(phenylmethoxymethyl)cyclopentan-1-ol

5. (2r,3s,5s)-3-(benzyloxy)-5-(6-(benzyloxy)-2-(((4-methoxyphenyl)diphenylmethyl)amino)-9h-purin-9-yl)-

6. Amy30767

7. Akos015839300

8. Akos015896675

9. Ac-5920

10. 217b785

2.3 Create Date

2010-10-11

3 Chemical and Physical Properties

Molecular Formula	C₅₂H₄₉N₅O₅
Molecular Weight	824.0 g/mol
XLogP3	9.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	17
Exact Mass	823.37336968 g/mol
Monoisotopic Mass	823.37336968 g/mol
Topological Polar Surface Area	113 Å²
Heavy Atom Count	62
Formal Charge	0
Complexity	1270
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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Jiangsu Yutian Pharmaceutical Co., ...

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CAS Number

142217-77-4

Intermediate Name

(1S,2S,3S,5S)-5-(2-Amino-6-(benzylo...

About the Company

Jiangsu Yutian Pharmaceutical Co., Ltd. is located in Dapu Pharmaceutical Zone of Lianyungang City in Jia...

Jiangsu Yutian Pharmaceutical Co., Ltd. is located in Dapu Pharmaceutical Zone of Lianyungang City in Jiangsu Province. It is a new and high-tech enterprise engaged in research and production of bulk pharmaceutical chemicals, medical high-grade intermediate and other fine chemicals. We make efforts to provide wide customers with superior quality product. Covering an area of 66400 square meters and a construction area of 37600 square meters, our company has 8 synthesis plants, 1 GMP and FDA standard cleaning shop, modern and advanced production equipment, leading grade laboratory and excellent quality control center. In addition, there is outstanding technology development, production and management talents. Due to high quality and superior service, our products have been exported to Japan, South Korea, India and Europe. We sincerely welcome wide customers to visit us and pay guidance on our work! We would like to create brilliant future hand in hand with you!

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Octane Laboratories

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CAS Number

142217-78-5

Intermediate Name

(1S,2S,3S,5S)-3-(benzyloxy)-5-(6-(b...

About the Company

OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company...

OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company specializing in the development of innovative processes for the synthesis of a wide range of products. We also undertake custom pharmaceutical services and contract Research Synthesis. We are commited to create better quality of life by being at the forefront of research, manufacturing and marketing of high quality API'S.As a growing organization, we are aware that we can’t achieve our goals singly. We collaborate and work in unison with a large number of reputed and like-minded partners

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